Physics – Condensed Matter – Materials Science
Scientific paper
2005-11-22
J. Chem. Phys. 124, 181102 (2006)
Physics
Condensed Matter
Materials Science
5 pages, 5 figures, published version: some modified figures and clarifications in the text
Scientific paper
10.1063/1.2200356
We address the quality of electrical contact between carbon nanotubes and metallic electrodes by performing first-principles calculations for the electron transmission through ideal 2- and 3-terminal junctions, thus revealing the physical limit of tube-metal conduction. The structural model constructed involves surrounding the tube by the metal atoms of the electrode as in most experiments; we consider metallic (5,5) and n-doped semiconducting (10,0) tubes surrounded by Au or Pd. In the case of metallic tubes, the contact conductance is shown to approach the ideal 4e^2/h in the limit of large contact area. For three-terminals, the division of flux among the different transmission channels depends strongly on the metal material. A Pd electrode has nearly perfect tube-electrode transmission and therefore turns off the straight transport along the tube. Our results are in good agreement with some recent experimental reports and clarify a fundamental discrepancy between theory and experiment.
Baranger Harold U.
Ke San-Huang
Yang Weitao
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